SCHEMBL28533016

SCHEMBL28533016

CCCCCSc1ncc(C(=O)NO)c(NS(=O)(=O)c2ccc(OC)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 1/20 0.41
▸ MMP13 P45452 4/20 0.41
▸ MMP1 P03956 2/20 0.41
▸ HDAC1 Q13547 2/20 0.41
▸ ADAMTS4 O75173 1/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ MMP14 P50281 1/20 0.41
▸ ADAMTS5 Q9UNA0 1/20 0.41
▸ MMP9 P14780 3/20 0.40
▸ ADAM17 P78536 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ CA12 O43570 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ CA2 P00918 1/20 0.40
▸ PTGES O14684 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28524818 0.91 ALDH1A1 (0.42) EGLN1HDAC1MAPTMEN1KMT2A
SCHEMBL28525182 0.88 SMN1; SMN2 (0.52) MAPTMEN1KMT2ATP53HSD17B10
SCHEMBL28533018 0.74 HSD17B10 (0.44) EGLN1MMP13MMP1HDAC1ADAMTS4
SCHEMBL28522378 0.73 PPARG (0.56) HDAC1MAPTHDAC3HDAC2HDAC8
SCHEMBL28524820 0.72 ALDH1A1 (0.44) EGLN1MMP13MMP1MMP9ADAM17
SCHEMBL28525183 0.70 ALDH1A1 (0.44) EGLN1MAPTMEN1KMT2ATP53
SCHEMBL28523854 0.66 HDAC1 (0.45) HDAC1MEN1KMT2AHSD17B10HDAC6
SCHEMBL11061920 0.65 PTGES (0.66) MAPTMEN1KMT2AHSD17B10PTGES
SCHEMBL7320167 0.63 FFAR4 (0.70) MMP13MMP1MMP2MMP14MMP9
SCHEMBL15482273 0.62 HDAC3 (0.68) HDAC1MAPTMEN1KMT2ATP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106279044-B Pyrimidine hydroxamic acid derivative and preparation method and application thereof 厦门市博瑞来医药科技有限公司 2021-02-19 — — CN disclosed
Send feedback